BDBM662051 2-chloro-N-(3-fluoro-6-methoxy-5-((E)-2-(2- (((1r,4r)-4- (methylamino)cyclohexyl)amino)pyrimidin- 5-yl)vinyl)pyridin-2-yl)benzenesulfonamide::US11945784, Compound 59

SMILES CN[C@H]1CCC(CC1)Nc1ncc(\C=C\c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2OC)cn1

InChI Key InChIKey=IMOGQKNPQOYZQL-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 662051   

TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Human)
Cornell University

US Patent
LigandPNGBDBM662051(2-chloro-N-(3-fluoro-6-methoxy-5-((E)-2-(2- (((1r,...)
Affinity DataIC50: 1nMAssay Description:In vitro FRET assay was performed to evaluate the ability of select compounds to inhibit IRE1, the results of which are summarized in Table 3. To per...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/17/2024
Entry Details
Go to US Patent